CHEMBL1801081 [135997]
CHEMBL1801081
| SMILES | COc1cc(C(=O)NC2(C(=O)N[C@H](C)c3ccc(-n4ccc(-c5ccccc5)n4)cc3F)CC2)on1 |
| InChIKey | VZSFWNVQRNQZRN-MRXNPFEDSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Log P | 3.815 |
| Molecular weight (Da) | 489.2 |
| Stereochemistry info | full |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL1801081
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0